methyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate

C18H27N3O3S — CID 11451404

IUPACmethyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)N(C2CCCCC2)C2CCCCC2)s1
InChIInChI=1S/C18H27N3O3S/c1-24-16(22)15-12-19-17(25-15)20-18(23)21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3,(H,19,20,23)
InChIKeyAEMPBLNRIXSIPZ-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.43
Rot. Bonds4

About methyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate

methyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate (PubChem CID 11451404) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is methyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate
PubChem CID11451404
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Namemethyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)N(C2CCCCC2)C2CCCCC2)s1
InChIInChI=1S/C18H27N3O3S/c1-24-16(22)15-12-19-17(25-15)20-18(23)21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3,(H,19,20,23)
InChIKeyAEMPBLNRIXSIPZ-UHFFFAOYSA-N
XLogP4.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate (CID 11451404) is methyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)N(C2CCCCC2)C2CCCCC2)s1.
What is the InChIKey of methyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is AEMPBLNRIXSIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-24-16(22)15-12-19-17(25-15)20-18(23)21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3,(H,19,20,23).
What are the key properties of methyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 365.50 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 11451404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).